SCHEMBL8522006

SCHEMBL8522006

C=Cc1ccc(COCCC(SCc2ccccc2)(SCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.37
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
AKR1B10 O60218 2/20 0.35
AKR1B1 P15121 2/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8522000 0.78 PPARG (0.51) PPARAPPARGGSK3BBACE1SMN1; SMN2
SCHEMBL14378813 0.72 TSHR (0.62) CA7CA9
SCHEMBL27941780 0.69 ESR1 (0.55) TEAD3AKR1B10AKR1B1LMNASMN1; SMN2
SCHEMBL18832287 0.69 ALDH1A1 (0.50) TEAD3HDAC8
SCHEMBL7795363 0.69 ALDH1A1 (0.38)
SCHEMBL31149023 0.68 HSP90AB1 (0.49) PPARAPPARGLMNAHTTSMN1; SMN2
SCHEMBL8417981 0.68 ALDH1A1 (0.37)
SCHEMBL17075233 0.68 ALDH1A1 (0.48) TEAD3HDAC8
SCHEMBL1140820 0.68 ALDH1A1 (0.48) TEAD3HDAC8
SCHEMBL3001304 0.68 CYP3A4 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5888723-A SENSITIVE HYBRIDIZATION ASSAY USING NUCLEIC ACID REAGENT COMPOSED OF OLIGONUCLEOTIDES COVALENTLY ATTACHED TO POLYMER PARTICLES WHICH ARE ADHERED TO SUPPORT USING WATER INSOLUBLE ADHESIVE; LOW BACKGROUND JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1999-03-30 US disclosed